SCHEMBL426571

SCHEMBL426571

CC(C)(C)OC(=O)n1c(Br)ccc1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
METAP1 P53582 1/20 0.34
ECE1 P42892 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
BCL2 P10415 1/20 0.32
DTYMK P23919 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
POLB P06746 1/20 0.32
NR1H2 P55055 2/20 0.32
ELANE P08246 1/20 0.32
SLC6A4 P31645 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL421515 0.79 P2RX3 (0.34) BCHEGABRG2GABRB3GABRA5NR1H2
SCHEMBL422508 0.75 HSP90AA1 (0.48) GPR119SLC16A3SLC16A1MCTS1METAP1
SCHEMBL424632 0.75 BCHE (0.42) GPR119BCHEGABRG2GABRB3GABRA5
SCHEMBL423816 0.75 CDC7 (0.50) GPR119ALDH1A1POLB
SCHEMBL421740 0.73 PAX8 (0.49) GPR119ALDH1A1POLB
SCHEMBL422956 0.72 GPR119 (0.33) GPR119NR1H2
SCHEMBL426274 0.72 MEN1 (0.41) GPR119GABRG2GABRB3GABRA5POLB
SCHEMBL422976 0.70 GCK (0.38) GPR119ABL1SLC16A3SLC16A1MCTS1
SCHEMBL25694403 0.68 BCHE (0.37) GPR119BCHEGABRG2GABRB3GABRA5
SCHEMBL424044 0.68 MAPK1 (0.42) GPR119GABRG2GABRB3GABRA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GPR119 5/4885ABL1 2492/4885BCR 2708/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GPR119 5/4885ABL1 2492/4885BCR 2708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.